Cover Image

Stability of correlated insulating states in molecular conductors from first-principles calculation

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Tsumuraya, Takao, Miyazaki, Tsuyoshi, Seo, Hitoshi
Format:	Preprint
Published:	2024
Subjects:	Strongly Correlated Electrons Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Combined X-ray diffraction, electrical resistivity, and $ab$ $initio$ study of (TMTTF)$_2$PF$_6$ under pressure: implications to the unified phase diagram
by: Itoi, Miho, et al.
Published: (2024)

Quasi-one-dimensional Spin Dynamics in a Molecular Spin Liquid System
by: Oshima, Yugo, et al.
Published: (2024)

Magneto transport and first principle study of strong topological insulator gray Arsenic
by: Karn, N. K., et al.
Published: (2024)

The alloying of first-principles calculations with quasiparticle methodologies for the converged solution of the quantum many-electron states in the correlated compound Iron monoxide
by: Das, Suvadip
Published: (2025)

Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O
by: Liu, Chang-Chao, et al.
Published: (2025)

Magnetoelectric behavior of breathing kagomé monolayers of $\mathrm{Nb}_3\mathrm{(Cl, Br, I)}_8$ from first-principles calculations
by: Mangeri, John, et al.
Published: (2024)

Nonrelativistic Piezomagnetic Effect in an Organic Altermagnet
by: Naka, Makoto, et al.
Published: (2025)

Finite temperature magnetic interactions from first principles
by: Kaushik, Ravi, et al.
Published: (2025)

C-BerryANC: A first-principle C++ code to calculate Berry Curvature dependent anomalous Nernst conductivity in any material
by: Pandey, Vivek, et al.
Published: (2025)

Correlations drive the attosecond response of strongly-correlated insulators
by: Cazali, Romain, et al.
Published: (2025)

Linear magnetoelectricity in the Zintl phase pnictides (Ba, Ca, Sr)$\mathrm{Mn}_2\mathrm{(P, As, Sb)}_2$ from first principles calculations
by: Mangeri, John, et al.
Published: (2024)

Spectroscopic evidence for a molecular orbital Kondo insulator
by: Xu, Ke-Jun, et al.
Published: (2026)

Electronic correlations and topology in Kondo insulator PuB$_6$
by: Gofryk, K., et al.
Published: (2026)

Collective and separate metal-insulator transitions in correlated vanadium dioxide
by: Zhou, Xuanchi, et al.
Published: (2026)

First-principles calculations of elasto-optical properties of $R$Te$_3$
by: Tang, Kuiqing
Published: (2025)

First-principles calculation of electronic and topological properties of low-dimensional tellurium
by: Araujo, Gabriel Elyas Gama, et al.
Published: (2025)

Toward a first-principles theory of rare-earth ions in crystals
by: Lee, Y., et al.
Published: (2024)

Combined experimental and theoretical studies on glasslike transitions in the frustrated molecular conductors $θ$-(BEDT-TTF)$_2MM'$(SCN)$_4$
by: Saito, Yohei, et al.
Published: (2023)

Magnetic-field-induced insulating behavior in black phosphorus under pressure
by: Akiba, Kazuto, et al.
Published: (2025)

Real-space titration and manipulation of particle-like correlated electrons in doped Mott insulator
by: Geng, Yanyan, et al.
Published: (2025)

Electronic and structural properties of Rh- and Pd-based kagome layered shandites from first principles
by: Buiarelli, Luca, et al.
Published: (2025)

Ge-based Clinopyroxene series: first principles and experimental local probe study
by: Moreira, Ricardo P., et al.
Published: (2024)

Symmetry tuning topological states of an axion insulator with noncollinear magnetic order
by: Riberolles, S. X. M., et al.
Published: (2025)

Magnetic anisotropy from interligand hopping in strongly correlated insulators: application to the magnon spectrum of CrI$_3$
by: Barts, Evgenii, et al.
Published: (2026)

Manipulating the metal-insulator transitions in correlated vanadium dioxide through bandwidth and band-filling control
by: Yao, Xiaohui, et al.
Published: (2025)

Origin of insulating-like behavior of Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ under pressure: A first-principles study
by: Du, Xin, et al.
Published: (2025)

Multiferroic kinks and spin-flop transition in Ni$_{2}$InSbO$_6$ from first principles
by: Ono, Ryota, et al.
Published: (2023)

Room temperature Mott metal-insulator transition in V2O3 compounds induced via strain-engineering
by: Homm, P., et al.
Published: (2021)

Reversal of strain state in a Mott insulator thin film by controlling substrate morphology
by: Singh, Reetendra, et al.
Published: (2025)

Interplay of superexchange and vibronic effects in the hidden order of Ba$_2$MgReO$_6$ from first principles
by: Mosca, Dario Fiore, et al.
Published: (2024)

Origin of the insulating and superconducting phases in molecular solid $κ$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$
by: Shin, Dongbin, et al.
Published: (2024)

Electronic properties of magnetic semiconductor $\textrm{CuMnO}_{2}$ : a first principles study
by: Sarkar, Apurba, et al.
Published: (2024)

Influence of ligand field and correlation on the electronic structure of NiO and CoO from DFT+DMFT calculations
by: Mutter, Daniel, et al.
Published: (2026)

Fingerprints of a charge ice state in the doped Mott insulator Nb$_3$Cl$_8$
by: Stepanov, Evgeny A.
Published: (2024)

Correlations, disorder, and multi-magnon processes in terahertz spin dynamics of magnetic nanostructures: A first-principles investigation
by: Paischer, S., et al.
Published: (2023)

de Haas-van Alphen effect and the first-principles study of the possible topological stannide Cu$_3$Sn
by: Liu, Chengxu, et al.
Published: (2022)

Metallic ruthenium ilmenites: first-principles study of MgRuO$_3$ and CdRuO$_3$
by: Jang, Seong-Hoon, et al.
Published: (2023)

Stability of the first-order character of phase transition in HoCo$_2$
by: Kumar, Ajay, et al.
Published: (2024)

Towards a unified first-principles-based description of VO$_2$ using DFT+DMFT with bond-centered orbitals
by: Mlkvik, Peter, et al.
Published: (2026)

Exciton enhanced nonlinear optical responses in monolayer h-BN and MoS2: Insight from first-principles exciton-state coupling formalism and calculations
by: Ruan, Jiawei, et al.
Published: (2023)